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5-(aminomethyl)-2-fluorobenzonitrile

5-(aminomethyl)-2-fluorobenzonitrile

CAS: 368426-86-2

Formula: C8H7FN2

SMILES: NCC1=CC=C(F)C(=C1)C#N

IUPAC: 5-(aminomethyl)-2-fluorobenzonitrile

InChI: InChI=1S/C8H7FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4,10H2

Composition: C (63.99%), H (4.70%), F (12.65%), N (18.66%)

Molar Mass: 150.156

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 150.059326396
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VRSKZZIXPDVEFN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.47
Topological Polar Surface Area 49.81
Polarizability 15.18
Ring Count 1
Rotatable Bond Count 1

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